Crystallography Open Database

Information card for entry 4330382

Preview

Coordinates	4330382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.5 H30 Cu2 I2 S3
Calculated formula	C25.5 H30 Cu2 I2 S3
Title of publication	Construction of (CuX)2n Cluster-Containing (X = Br, I; n = 1, 2) Coordination Polymers Assembled by Dithioethers ArS(CH2)mSAr (Ar = Ph, p-Tol; m = 3, 5): Effect of the Spacer Length, Aryl Group, and Metal-to-Ligand Ratio on the Dimensionality, Cluster Nuclearity, and the Luminescence Properties of the Metal-Organic Frameworks
Authors of publication	Michael Knorr; Fabrice Guyon; Abderrahim Khatyr; Carsten Strohmann; Magali Allain; Shawkat M. Aly; Antony Lapprand; Daniel Fortin; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9917 - 9934
a	29.557 ± 0.006 Å
b	11.658 ± 0.002 Å
c	19.257 ± 0.004 Å
α	90°
β	119.67 ± 0.03°
γ	90°
Cell volume	5766 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2187
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4330382.cif
79636	2013-04-05	cif/ Adding structures of 4330382 via cif-deposit CGI script.	4330382.cif